Information card for entry 4342759

Structure parameters

• Formula: C60 H87 Fe2 N4 Ni O19
• Calculated formula: C60 H87 Fe2 N4 Ni O19
• Title of publication: Heterometallic Coordination Polymers Assembled from Trigonal Trinuclear Fe2Ni-Pivalate Blocks and Polypyridine Spacers: Topological Diversity, Sorption, and Catalytic Properties.
• Authors of publication: Sotnik, Svetlana A.; Polunin, Ruslan A.; Kiskin, Mikhail A.; Kirillov, Alexander M.; Dorofeeva, Victoria N.; Gavrilenko, Konstantin S.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Kolotilov, Sergey V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5169 - 5181
• a: 11.917 ± 0.006 Å
• b: 34.75 ± 0.018 Å
• c: 23.067 ± 0.012 Å
• α: 90°
• β: 98.817 ± 0.008°
• γ: 90°
• Cell volume: 9440 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.221
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No